CAS RN: 58880-43-6
2-(9-oxoacridin-10-yl)acetic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250528 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS58880-43-6
- Purity/Analytical Methods: >99.0%
58880-43-6 / 2-(9-oxoacridin-10-yl)acetic acid
Basic Information
CAS
58880-43-6
Multi CAS
Yes
Molecular Formula
C15H11NO3
Molecular Weight
253.250000
Exact Mass
253.073893
InChI
InChI=1S/C15H11NO3.Na/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16;/h1-8H,9H2,(H,17,18);/q;+1/p-1
InChIKey
FQMLTEAEJZVTAJ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
14
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.35
TPSA
59.3
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
2.7
Consensus LogP
2.31
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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